PharmAI GmbH products

The technology behind PharmAI’s DiscoveryEngine allows for an unprecedented level of detail in the representation of drug-target complexes. Besides geometric comparison of binding sites based on local alignments, non-covalent interactions were included as they significantly improve the prediction of binding site similarities. Over many years, PharmAI refined and improved this technology and applied it to reposition known drugs to new targets for cancer or malaria. At its core, pharmAI’s technology leverages 3D structure of drug-target complex, calculates similarities to produce predictions, and ranks them using artificial intelligence.